SCHEMBL8748258

SCHEMBL8748258

CC(C)N(C(=O)c1ccc(OCCCCCOc2ccc(C(N)=NO)cc2)cc1)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.63
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
MAPT P10636 1/20 0.63
ALOX15 P16050 1/20 0.63
HSD17B10 Q99714 1/20 0.63
LTB4R Q15722 2/20 0.56
LTB4R2 Q9NPC1 1/20 0.51
SLC2A1 P11166 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PRMT1 Q99873 3/20 0.43
F2 P00734 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
PLAU P00749 1/20 0.43
PRMT5 O14744 1/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
TMPRSS2 O15393 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8748256 1.00 GAA (0.63) GAARAB9ANPC1LMNATP53
SCHEMBL8748072 0.88 LTB4R (0.61) GAARAB9ANPC1LMNATP53
SCHEMBL9133552 0.88 LTB4R (0.61) GAARAB9ANPC1LMNATP53
SCHEMBL8995041 0.88 LTB4R (0.54) GAARAB9ANPC1LMNATP53
SCHEMBL8747955 0.87 LTB4R (0.78) GAARAB9ANPC1LMNATP53
SCHEMBL8748241 0.87 LTB4R (0.78) GAARAB9ANPC1LMNATP53
SCHEMBL8747956 0.87 LTB4R (0.78) GAARAB9ANPC1LMNATP53
SCHEMBL8748238 0.87 LTB4R (0.78) GAARAB9ANPC1LMNATP53
SCHEMBL7717126 0.86 GAA (0.53) GAARAB9ANPC1LMNATP53
SCHEMBL8747961 0.86 GAA (0.53) GAARAB9ANPC1LMNATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601977-B1 Aromatic hydroxyamidine derivatives and their use as leukotriene B4 receptor antagonists CIBA GEIGY AG (CH) 1997-01-22 EP disclosed
US-5455274-A Leukotriene antagonists; treating rheumatoid arthritis CIBA-GEIGY CORPORATION (US) 1995-10-03 US disclosed